When referring to the compilation of Henry's Law Constants, please cite
this publication:
R. Sander: Compilation of Henry's law constants (version 4.0) for
water as solvent, Atmos. Chem. Phys., 15, 4399-4981 (2015),
doi:10.5194/acp-15-4399-2015
A new version is currently under peer review:
R. Sander: Compilation of Henry's law constants (version 5.0.0-rc.0)
for water as solvent,
doi:10.5194/egusphere-2023-1584
The database on this web page will be updated to
version 5.0.0 when the peer review of the manuscript is completed.
|
FORMULA: | C12H4Cl6 |
TRIVIAL NAME:
|
PCB-157
|
CAS RN: | 69782-90-7 |
STRUCTURE
(FROM
NIST):
|
|
InChIKey: | YTWXDQVNPCIEOX-UHFFFAOYSA-N |
|
|
References |
Type |
Notes |
[mol/(m3Pa)] |
[K] |
|
|
|
6.0×10−2 |
|
Fang et al. (2006) |
M |
|
3.4×10−2 |
16000 |
Bamford et al. (2002) |
M |
|
2.3×10−3 |
5900 |
Paasivirta and Sinkkonen (2009) |
V |
|
1.7×10−2 |
|
Shiu and Mackay (1986) |
V |
|
3.0×10−1 |
|
Burkhard et al. (1985) |
V |
|
1.9×10−1 |
|
Fang Lee (2007) |
Q |
264)
|
2.0×10−1 |
|
Fang Lee (2007) |
Q |
265)
|
|
6300 |
Kühne et al. (2005) |
Q |
|
1.2×10−1 |
|
Dunnivant et al. (1992) |
Q |
|
1.5×10−1 |
|
Sabljić and Güsten (1989) |
Q |
|
|
5100 |
Kühne et al. (2005) |
? |
|
Data
The first column contains Henry's law solubility constant
at the reference temperature of 298.15 K.
The second column contains the temperature dependence
, also at the
reference temperature.
References
-
Bamford, H. A., Poster, D. L., Huie, R. E., & Baker, J. E.: Using extrathermodynamic relationships to model the temperature dependence of Henry’s law constants of 209 PCB congeners, Environ. Sci. Technol., 36, 4395–4402, doi:10.1021/ES020599Y (2002).
-
Burkhard, L. P., Armstrong, D. E., & Andren, A. W.: Henry’s law constants for the polychlorinated biphenyls, Environ. Sci. Technol., 19, 590–596, doi:10.1021/ES00137A002 (1985).
-
Dunnivant, F. M., Elzerman, A. W., Jurs, P. C., & Hasan, M. N.: Quantitative structure-property relationships for aqueous solubilities and Henry’s law constants of polychlorinated biphenyls, Environ. Sci. Technol., 26, 1567–1573, doi:10.1021/ES00032A012 (1992).
-
Fang, F., Chu, S., & Hong, C.-S.: Air-water Henry’s law constants for PCB congeners: experimental determination and modeling of structure-property relationship, Anal. Chem., 78, 5412–5418, doi:10.1021/AC0604742 (2006).
-
Fang Lee, F.: Comprehensive analysis, Henry’s law constant determination, and photocatalytic degradation of polychlorinated biphenyls (PCBs) and/or other persistent organic pollutants (POPs), Ph.D. thesis, University at Albany, State University of New York, USA (2007).
-
Kühne, R., Ebert, R.-U., & Schüürmann, G.: Prediction of the temperature dependency of Henry’s law constant from chemical structure, Environ. Sci. Technol., 39, 6705–6711, doi:10.1021/ES050527H (2005).
-
Paasivirta, J. & Sinkkonen, S. I.: Environmentally relevant properties of all 209 polychlorinated biphenyl congeners for modeling their fate in different natural and climatic conditions, J. Chem. Eng. Data, 54, 1189–1213, doi:10.1021/JE800501H (2009).
-
Sabljić, A. & Güsten, H.: Predicting Henry’s law constants for polychlorinated biphenyls, Chemosphere, 19, 1503–1511, doi:10.1016/0045-6535(89)90495-5 (1989).
-
Shiu, W. Y. & Mackay, D.: A critical review of aqueous solubilities, vapor pressures, Henry’s law constants, and octanol-water partition coefficients of the polychlorinated biphenyls, J. Phys. Chem. Ref. Data, 15, 911–929, doi:10.1063/1.555755 (1986).
Type
Table entries are sorted according to reliability of the data, listing
the most reliable type first: L) literature review, M) measured, V)
VP/AS = vapor pressure/aqueous solubility, R) recalculation, T)
thermodynamical calculation, X) original paper not available, C)
citation, Q) QSPR, E) estimate, ?) unknown, W) wrong. See Section 3.1
of Sander (2015) for further details.
Notes
264) |
Calculated with the principal component regression (PCR) method, see Fang Lee (2007) for details. |
265) |
Calculated with the partial least-square regression (PLSR) method, see Fang Lee (2007) for details. |
The numbers of the notes are the same as
in Sander (2015). References cited in the notes can be
found here.
|
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